CID 43511006

2-(4-sulfamoyl-1h-pyrazol-1-yl)acetic acid

Structural Information

Molecular Formula
C5H7N3O4S
SMILES
C1=C(C=NN1CC(=O)O)S(=O)(=O)N
InChI
InChI=1S/C5H7N3O4S/c6-13(11,12)4-1-7-8(2-4)3-5(9)10/h1-2H,3H2,(H,9,10)(H2,6,11,12)
InChIKey
MELFTMQIKRPKGQ-UHFFFAOYSA-N
Compound name
2-(4-sulfamoylpyrazol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

205.01573 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.02301 140.0
[M+Na]+ 228.00495 149.2
[M-H]- 204.00845 140.1
[M+NH4]+ 223.04955 157.2
[M+K]+ 243.97889 147.0
[M+H-H2O]+ 188.01299 133.9
[M+HCOO]- 250.01393 156.4
[M+CH3COO]- 264.02958 178.4
[M+Na-2H]- 225.99040 142.6
[M]+ 205.01518 141.4
[M]- 205.01628 141.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe